sodium benzo[a]anthracen-7-ylmethyl hydrogen sulfate

Systemtic Name: sodium benzo[a]anthracen-7-ylmethyl hydrogen sulfate Openeye Name: sodium benzo[a]anthracen-7-ylmethyl hydrogen sulfate CAS Name: sodium sulfuric acid 7-benzo[a]anthracenylmethyl ester IUPAC Name: sodium benzo[a]anthracen-7-ylmethyl hydrogen sulfate Traditional Name: sodium sulfuric acid benz[a]anthracen-7-ylmethyl ester Formula: C19H14NaO4S+ MolecularWeight: 361.36683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)COS(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)COS(=O)(=O)O.[Na+]

InChI

InChI=1S/C19H14O4S.Na/c20-24(21,22)23-12-19-16-8-4-2-6-14(16)11-18-15-7-3-1-5-13(15)9-10-17(18)19;/h1-11H,12H2,(H,20,21,22);/q;+1